(2'R,3R,3'R)-N-[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]cyclohexyl]-5',5'-dimethyl-2-oxo-3'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide

C49H61N7O8 — CID 167633784

About (2'R,3R,3'R)-N-[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]cyclohexyl]-5',5'-dimethyl-2-oxo-3'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide

(2'R,3R,3'R)-N-[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]cyclohexyl]-5',5'-dimethyl-2-oxo-3'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide (PubChem CID 167633784) has the molecular formula C49H61N7O8 and a molecular weight of 876.07 g/mol. Its IUPAC name is (2'R,3R,3'R)-N-[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]cyclohexyl]-5',5'-dimethyl-2-oxo-3'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide.

Molecular Properties

• Compound Name: (2'R,3R,3'R)-N-[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]cyclohexyl]-5',5'-dimethyl-2-oxo-3'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
• PubChem CID: 167633784
• Molecular Formula: C49H61N7O8
• Molecular Weight: 876.07 g/mol
• Exact Mass: 875.46
• IUPAC Name: (2'R,3R,3'R)-N-[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]cyclohexyl]-5',5'-dimethyl-2-oxo-3'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
• SMILES: C=C1c2cccc(NCCOCCOCCOCCNC(=O)C3CCC(NC(=O)[C@@H]4NC(C)(C)[C@@]5(C(=O)Nc6ccccc65)[C@H]4c4ccccc4)CC3)c2CN1C1CCC(=O)NC1=O
• InChI: InChI=1S/C49H61N7O8/c1-31-35-12-9-15-38(36(35)30-56(31)40-20-21-41(57)54-45(40)59)50-22-24-62-26-28-64-29-27-63-25-23-51-44(58)33-16-18-34(19-17-33)52-46(60)43-42(32-10-5-4-6-11-32)49(48(2,3)55-43)37-13-7-8-14-39(37)53-47(49)61/h4-15,33-34,40,42-43,50,55H,1,16-30H2,2-3H3,(H,51,58)(H,52,60)(H,53,61)(H,54,57,59)/t33?,34?,40?,42-,43+,49+/m0/s1
• InChIKey: OEIDFGCESXUHAL-DFKADZDTSA-N
• XLogP: 3.96
• TPSA: 188.46 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 11
• Rotatable Bonds: 18
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	876.07
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2'R,3R,3'R)-N-[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]cyclohexyl]-5',5'-dimethyl-2-oxo-3'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?

The IUPAC name of (2'R,3R,3'R)-N-[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]cyclohexyl]-5',5'-dimethyl-2-oxo-3'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide (CID 167633784) is (2'R,3R,3'R)-N-[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]cyclohexyl]-5',5'-dimethyl-2-oxo-3'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide.

What is the SMILES notation for (2'R,3R,3'R)-N-[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]cyclohexyl]-5',5'-dimethyl-2-oxo-3'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?

The canonical SMILES for (2'R,3R,3'R)-N-[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]cyclohexyl]-5',5'-dimethyl-2-oxo-3'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide is C=C1c2cccc(NCCOCCOCCOCCNC(=O)C3CCC(NC(=O)[C@@H]4NC(C)(C)[C@@]5(C(=O)Nc6ccccc65)[C@H]4c4ccccc4)CC3)c2CN1C1CCC(=O)NC1=O.

What is the InChIKey of (2'R,3R,3'R)-N-[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]cyclohexyl]-5',5'-dimethyl-2-oxo-3'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?

The InChIKey is OEIDFGCESXUHAL-DFKADZDTSA-N. The full InChI is InChI=1S/C49H61N7O8/c1-31-35-12-9-15-38(36(35)30-56(31)40-20-21-41(57)54-45(40)59)50-22-24-62-26-28-64-29-27-63-25-23-51-44(58)33-16-18-34(19-17-33)52-46(60)43-42(32-10-5-4-6-11-32)49(48(2,3)55-43)37-13-7-8-14-39(37)53-47(49)61/h4-15,33-34,40,42-43,50,55H,1,16-30H2,2-3H3,(H,51,58)(H,52,60)(H,53,61)(H,54,57,59)/t33?,34?,40?,42-,43+,49+/m0/s1.

What are the key properties of (2'R,3R,3'R)-N-[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]cyclohexyl]-5',5'-dimethyl-2-oxo-3'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?

(2'R,3R,3'R)-N-[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]cyclohexyl]-5',5'-dimethyl-2-oxo-3'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide has a molecular weight of 876.07 g/mol, XLogP of 3.96, 18 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2'R,3R,3'R)-N-[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]cyclohexyl]-5',5'-dimethyl-2-oxo-3'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide is sourced from PubChem (CID 167633784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).